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122892-80-2 | Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-nitro-
CAS No: 122892-80-2 Catalog No: AG000JPT MDL No:
Product Description
Catalog Number:
AG000JPT
Chemical Name:
Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-nitro-
CAS Number:
122892-80-2
Molecular Formula:
C18H21N3O4
Molecular Weight:
343.3770
IUPAC Name:
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-nitrobenzamide
InChI:
InChI=1S/C18H21N3O4/c1-20(2)10-11-25-17-8-6-14(7-9-17)13-19-18(22)15-4-3-5-16(12-15)21(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)
InChI Key:
GNHJCPGGHGYXHT-UHFFFAOYSA-N
SMILES:
CN(CCOc1ccc(cc1)CNC(=O)c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.383g/mol
Monoisotopic Mass:
343.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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